SCHEMBL5206949

SCHEMBL5206949

CCn1cc(C(N)=O)c(=O)c2ccc(C)nc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.78
MEN1 O00255 6/20 0.78
LMNA P02545 4/20 0.78
ABCC4 O15439 1/20 0.78
PKM P14618 1/20 0.78
PTGS1 P23219 1/20 0.78
KDM4E B2RXH2 3/20 0.74
CYP1A2 P05177 2/20 0.74
HSD17B10 Q99714 2/20 0.74
NFKB1 P19838 1/20 0.74
BLM P54132 1/20 0.74
ALDH1A1 P00352 8/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
TSHR P16473 4/20 0.64
MAPK1 P28482 3/20 0.63
POLB P06746 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
NPC1 O15118 2/20 0.59
HPGD P15428 2/20 0.59
RAB9A P51151 2/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Nalidixic Acid SCHEMBL7878858 0.88 KMT2A (1.00) KMT2AMEN1LMNAABCC4PKM
SCHEMBL12248454 0.88 KMT2A (0.80) KMT2AMEN1LMNAABCC4PKM
Nalidixic Acid SCHEMBL29367723 0.88 KMT2A (1.00) KMT2AMEN1LMNAABCC4PKM
Nalidixic Acid SCHEMBL21736 0.88 KMT2A (1.00) KMT2AMEN1LMNAABCC4PKM
SCHEMBL13174430 0.87 KMT2A (0.74) KMT2AMEN1LMNAABCC4PKM
Nalidixic Acid SCHEMBL4766415 0.86 KMT2A (0.97) KMT2AMEN1LMNAABCC4PKM
Nalidixic Acid SCHEMBL9743582 0.86 KMT2A (0.97) KMT2AMEN1LMNAABCC4PKM
SCHEMBL13623579 0.86 KMT2A (0.78) KMT2AMEN1LMNAABCC4PKM
Nalidixic Acid SCHEMBL950987 0.86 KMT2A (0.97) KMT2AMEN1LMNAABCC4PKM
Nalidixic Acid SCHEMBL27256972 0.86 KMT2A (0.97) KMT2AMEN1LMNAABCC4PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 KMT2A 2302/4885MEN1 2872/4885LMNA 1672/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 KMT2A 2302/4885MEN1 2872/4885LMNA 1672/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 KMT2A 2312/4885MEN1 2870/4885LMNA 1504/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.